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Compound InformationSONAR Target prediction
Name:

ERGOSTA-7,22-DIEN-3-ONE

Unique Identifier:SPE01800109
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:8.157  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C
Class:sterol
Source:Fomes & Coriolis spp.
Reference:J Chem Soc (C)1971:685

Found: 192 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.5621±0.000707107
Normalized OD Score: sc h 1.0014±0.00953904
Z-Score: 0.0452±0.426815
p-Value: 0.763036
Z-Factor: -114.562
Fitness Defect: 0.2705
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.042550000000000004±0.00144
Plate DMSO Control (-):0.560225±0.01465
Plate Z-Factor:0.9261
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DBLink | Rows returned: 124<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
556274 2-(6-bicyclo[2.2.1]hept-2-enyl)acetaldehyde
556372 3-(1-cyclopent-2-enyl)propanal
564293 4-(2,7,7-trimethyl-1-bicyclo[3.2.0]hept-2-enyl)butan-2-one
564529 4-propan-2-yl-1,3,3a,4,7,7a-hexahydroinden-2-one
565525 4-(1,2-dimethyl-1-cyclopent-2-enyl)butan-2-one
578142 1-(7-bicyclo[3.3.1]non-3-enyl)-2-methyl-propan-1-one

internal high similarity DBLink | Rows returned: 5
SPE00300166 0.9167
JFD 02026 0.9189
SPE01500849 0.9189
NRB 03735 0.9706
NRB 03822 0.9706

active | Cluster 5085 | Additional Members: 3 | Rows returned: 1
SPE00200743 0

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